3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid

C18H25BrFN7O2 — CID 169141581

IUPAC3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid
SMILESBrc1cnn2ccnc(Nc3ccn[nH]3)c12.CC(C)NC(=O)O.FC1CCCC1
InChIInChI=1S/C9H7BrN6.C5H9F.C4H9NO2/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;6-5-3-1-2-4-5;1-3(2)5-4(6)7/h1-5H,(H2,11,12,14,15);5H,1-4H2;3,5H,1-2H3,(H,6,7)
InChIKeyAZSVYAWGYAGEBH-UHFFFAOYSA-N
MW470.35 g/mol
LogP4.52
Rot. Bonds3

About 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid

3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid (PubChem CID 169141581) has the molecular formula C18H25BrFN7O2 and a molecular weight of 470.35 g/mol. Its IUPAC name is 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid.

Molecular Properties

Compound Name3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid
PubChem CID169141581
Molecular FormulaC18H25BrFN7O2
Molecular Weight470.35 g/mol
Exact Mass469.12
IUPAC Name3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid
SMILESBrc1cnn2ccnc(Nc3ccn[nH]3)c12.CC(C)NC(=O)O.FC1CCCC1
InChIInChI=1S/C9H7BrN6.C5H9F.C4H9NO2/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;6-5-3-1-2-4-5;1-3(2)5-4(6)7/h1-5H,(H2,11,12,14,15);5H,1-4H2;3,5H,1-2H3,(H,6,7)
InChIKeyAZSVYAWGYAGEBH-UHFFFAOYSA-N
XLogP4.52
TPSA120.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.35
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid?
The IUPAC name of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid (CID 169141581) is 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid.
What is the SMILES notation for 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid?
The canonical SMILES for 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid is Brc1cnn2ccnc(Nc3ccn[nH]3)c12.CC(C)NC(=O)O.FC1CCCC1.
What is the InChIKey of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid?
The InChIKey is AZSVYAWGYAGEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN6.C5H9F.C4H9NO2/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;6-5-3-1-2-4-5;1-3(2)5-4(6)7/h1-5H,(H2,11,12,14,15);5H,1-4H2;3,5H,1-2H3,(H,6,7).
What are the key properties of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid?
3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid has a molecular weight of 470.35 g/mol, XLogP of 4.52, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid is sourced from PubChem (CID 169141581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).